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Details

Stereochemistry ACHIRAL
Molecular Formula C25H23I6N5O8
Molecular Weight 1282.9056
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[[[[3-(Acetylmethylamino)-5-(dimethylcarbamoyl)-2,4,6-triiodobenzoyl]amino]acetyl]amino]-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid

SMILES

CN(C)C(=O)C1=C(I)C(N(C)C(C)=O)=C(I)C(C(=O)NCC(=O)NC2=C(I)C(C(=O)NCCO)=C(I)C(C(O)=O)=C2I)=C1I

InChI

InChIKey=FHMXSJORCUZYDY-UHFFFAOYSA-N
InChI=1S/C25H23I6N5O8/c1-8(38)36(4)21-18(30)11(14(26)12(19(21)31)24(42)35(2)3)23(41)33-7-9(39)34-20-16(28)10(22(40)32-5-6-37)15(27)13(17(20)29)25(43)44/h37H,5-7H2,1-4H3,(H,32,40)(H,33,41)(H,34,39)(H,43,44)

HIDE SMILES / InChI

Molecular Formula C25H23I6N5O8
Molecular Weight 1282.9056
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
N39M6PDW7W
Record Status Validated (UNII)
Record Version